N,N-diethylpropanethioamide

C7H15NS — CID 638150

IUPACN,N-diethylpropanethioamide
SMILESCCC(=S)N(CC)CC
InChIInChI=1S/C7H15NS/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
InChIKeyYKJQUQNAMFJFDZ-UHFFFAOYSA-N
MW145.27 g/mol
LogP2.07
Rot. Bonds3

About N,N-diethylpropanethioamide

N,N-diethylpropanethioamide (PubChem CID 638150) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N,N-diethylpropanethioamide.

Molecular Properties

Compound NameN,N-diethylpropanethioamide
PubChem CID638150
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN,N-diethylpropanethioamide
SMILESCCC(=S)N(CC)CC
InChIInChI=1S/C7H15NS/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
InChIKeyYKJQUQNAMFJFDZ-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylpropanethioamide;methane;methyl propanoate
CID 158248779
N,N-dibutylpropanethioamide
CID 45118577
N,N-diethylcarbamodithioate
CID 28343
O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate
CID 140514476
diethylcarbamodithioic acid;lanthanum
CID 174709287
alumane;diethylcarbamodithioic acid
CID 174602064
CID 171395735
CID 171395735
diethylcarbamodithioic acid;molybdenum
CID 159441063
tris(N,N-diethylcarbamodithioate);ruthenium(3+)
CID 101036652
CID 157101395
CID 157101395
CID 19880505
CID 19880505
1,1-diethylthiourea;λ2-plumbane
CID 173060169

Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropanethioamide?
The IUPAC name of N,N-diethylpropanethioamide (CID 638150) is N,N-diethylpropanethioamide.
What is the SMILES notation for N,N-diethylpropanethioamide?
The canonical SMILES for N,N-diethylpropanethioamide is CCC(=S)N(CC)CC.
What is the InChIKey of N,N-diethylpropanethioamide?
The InChIKey is YKJQUQNAMFJFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3.
What are the key properties of N,N-diethylpropanethioamide?
N,N-diethylpropanethioamide has a molecular weight of 145.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropanethioamide is sourced from PubChem (CID 638150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).